N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline

C13H19NO — CID 138966024

IUPACN,3-dimethyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1cccc(N(C)CC2CCOC2)c1
InChIInChI=1S/C13H19NO/c1-11-4-3-5-13(8-11)14(2)9-12-6-7-15-10-12/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyDHSOVEBOYDFPKX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds3

About N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline

N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 138966024) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID138966024
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,3-dimethyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1cccc(N(C)CC2CCOC2)c1
InChIInChI=1S/C13H19NO/c1-11-4-3-5-13(8-11)14(2)9-12-6-7-15-10-12/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyDHSOVEBOYDFPKX-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline (CID 138966024) is N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline is Cc1cccc(N(C)CC2CCOC2)c1.
What is the InChIKey of N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is DHSOVEBOYDFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-3-5-13(8-11)14(2)9-12-6-7-15-10-12/h3-5,8,12H,6-7,9-10H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline?
N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 138966024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).